1-(4-fluorophenyl)-2-(methylamino)propan-1-one

• ChemBase ID: 125381
• Molecular Formular: C10H12FNO
• Molecular Mass: 181.2067832
• Monoisotopic Mass: 181.09029223
• SMILES: CNC(C)C(=O)c1ccc(cc1)F
• Canonical SMILES: CNC(C(=O)c1ccc(cc1)F)C
• InChI: InChI=1S/C10H12FNO/c1-7(12-2)10(13)8-3-5-9(11)6-4-8/h3-7,12H,1-2H3
• InChIKey: MWKQPIROPJSFRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)-2-(methylamino)propan-1-one
• IUPAC Traditional name: flephedrone
• Synonyms: 3-Fluoromethcathinone; Flephedrone

Database IDs

• CAS Number: 1049677-77-1; 7589-35-7
• PubChem SID: 162219731
• PubChem CID: 49853406
• Chemspider ID: 21477355
• Wikipedia Title: Flephedrone; 3-Fluoromethcathinone

CALCULATED PROPERTIES

• Acid pKa: 18.567005
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.65952235
• LogD (pH = 7.4): 1.0720284
• Log P: 1.75081
• Molar Refractivity: 49.3054 cm^3
• Polarizability: 18.928434 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral; Oral, Intranasal, Intravenous
• Legal Status: Illegal in Czech Republic, Denmark, UK, Poland, some states within the US